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RESEARCH PAPER · IUCrJ · 2014

Superspace crystallography: a key to the chemistry and properties

Carlos B. Pinheiro, Artem M. Abakumov

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Superspace crystallography: a key to the chemistry and propertiesOriginalMelilite-like modulation and temperature-dependent evolution in the framework structure of K2Sc[Si2O6]F8TheZ′ = 12 superstructure of Λ-cobalt(III) sepulchrate trinitrate governed by C—H...O hydrogen bonds11Superspace description of trimethyltin hydroxide at T = 100 K4Tiling approach for the description of the sevenfold symmetry in quasicrystals5The structure of denisovite, a fibrous nanocrystalline polytypic disordered `very complex' silicate, studied by a synergistic multi-disciplinary approach employing methods of electron crystallography and X-ray powder diffraction34Sr1/2Ce5/14□1/7WO4: a new modulated ternary scheelite compound9Exploring the driving forces behind the structural assembly of biphenylthiolates on Au(111)8Modulated Crystal Structures1Unexpected behaviour in derivatives of Barluenga's reagent, Hal(Coll)2X (Coll = 2,4,6-trimethyl pyridine, collidine; Hal = I, Br; X = PF6, ClO4& BF4)19Role of Steric Hindrance in the Crystal Packing of Z′ = 4 Superstructure of Trimethyltin Hydroxide14A Review of Mechanoluminescence in Inorganic Solids: Compounds, Mechanisms, Models and Applications301Exploiting superspace to clarify vacancy and Al/Si ordering in mullite7Characterizing modulated structures with first-principles calculations: a unified superspace scheme of ordering in mullite2The effect of dopant concentrations on the structural, morphological and optical properties of NaNbO3 semiconductor materials21Host Polytypism and Structural Modulation in Two-Dimensional Fe(NCS)2-Based Metal–Organic Frameworks: Can Spin-Crossover Transitions Be Predicted?3Aperiodic metal–organic frameworks23Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate3Valence fluctuations in the 3D + 3 modulated Yb 3 Co 4 Ge 13 Remeika phase13Toward Understanding High-Z′ Organic Molecular Crystals through the Superspace Method: The Example of Glycyl- l -valine9Une étude cristallographique: superspace description of a commensurate composite cocrystal of 4,4′-dinitrobiphenyl and biphenyl1Incommensurate Phase in Λ‐cobalt (III) Sepulchrate Trinitrate Governed by Highly Competitive N−H⋅⋅⋅O and C−H⋅⋅⋅O Hydrogen Bond Networks**4Hydrogen atoms in supramolecular chemistry: a structural perspective. Where are they, and why does it matter?25Superspace approach helps: determination of proton dynamics in the phase transition of modulated supramolecular ferroelectrics: 5,5′-dimethyl-2,2′-bipyridine and bromanilic acid0Asymmetric rotations and dimerization driven by normal to modulated phase transition in 4-biphenylcarboxy coupled L -phenylalaninate4Structural peculiarities? Aperiodic crystals, modulated phases, composite structures2Mechanoluminescence and Its Recent Applications3Temperature dependent energy transfer to Eu 3+ emission centres in K 5 Eu(MoO 4 ) 4 crystals6Occupational modulation in the (3+1)-dimensional incommensurate structure of (2S,3S)-2-amino-3-hydroxy-3-methyl-4-phenoxybutanoic acid dihydrate2Tuning structural modulation and magnetic properties in metal–organic coordination polymers [CH 3 NH 3 ]Co x Ni 1− x (HCOO) 34Interplay between Two Structure Types in the Incommensurately Modulated A14+2/3Ta8Se46+2/3 Compounds (A = Rb, Cs)3Influence of Magnetic Anisotropy on the Ground State of [CH3NH3]Fe(HCOO)3: Insights into the Improper Modulated Magnetic Structure1A possible explanation for the Rule of Four in Inorganic Materials03D ED/MicroED-Based Structural Analysis of Ipragliflozin– l -Proline Cocrystal from Pharmaceutical Tablet0

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  1. Melilite-like modulation and temperature-dependent evolution in the framework structure of K2Sc[Si2O6]F

    Acta Crystallographica Section B Structural Science Crystal Engineering and Materials · 2016-04-01

    Clivia Hejny, Volker Kahlenberg, Tim Eberhard, Hannes Krüger

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  2. TheZ′ = 12 superstructure of Λ-cobalt(III) sepulchrate trinitrate governed by C—H...O hydrogen bonds

    Acta Crystallographica Section B Structural Science Crystal Engineering and Materials · 2016-05-26

    Somnath Dey, Andreas Schönleber, Swastik Mondal, Siriyara Jagannatha Prathapa, Sander van Smaalen, Finn Krebs Larsen

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  3. Superspace description of trimethyltin hydroxide at T = 100 K

    Zeitschrift für Kristallographie - Crystalline Materials · 2016-06-11

    Somnath Dey, Andreas Schönleber, Swastik Mondal, Sander van Smaalen

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  4. Tiling approach for the description of the sevenfold symmetry in quasicrystals

    Structural Chemistry · 2016-06-29

    Alexey E. Madison

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  5. The structure of denisovite, a fibrous nanocrystalline polytypic disordered `very complex' silicate, studied by a synergistic multi-disciplinary approach employing methods of electron crystallography and X-ray powder diffraction

    IUCrJ · 2017-03-08

    Ira V. Rozhdestvenskaya, Enrico Mugnaioli, Marco Schowalter, Martin U. Schmidt, M. Czank, Wulf Depmeier, Andreas Rosenauer

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  6. Sr1/2Ce5/14□1/7WO4: a new modulated ternary scheelite compound

    Acta Crystallographica Section B Structural Science Crystal Engineering and Materials · 2017-06-01

    Rafael Hernandez Damascena dos Passos, Madjid Arab, Carlson Pereira de Souza, Christine Leroux

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  7. Exploring the driving forces behind the structural assembly of biphenylthiolates on Au(111)

    The Journal of Chemical Physics · 2017-07-13

    Elisabeth Verwüster, Elisabeth Wruß, Egbert Zojer, Oliver T. Hofmann

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  8. Modulated Crystal Structures

    Unknown journal · 2017-08-09

    Sander van Smaalen

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  9. Unexpected behaviour in derivatives of Barluenga's reagent, Hal(Coll)2X (Coll = 2,4,6-trimethyl pyridine, collidine; Hal = I, Br; X = PF6, ClO4& BF4)

    Chemical Communications · 2018-01-01

    Lewis C. F. Morgan, Yejin Kim, Jack N. Blandy, Claire A. Murray, Kirsten E. Christensen, Amber L. Thompson

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  10. Role of Steric Hindrance in the Crystal Packing of Z′ = 4 Superstructure of Trimethyltin Hydroxide

    Crystal Growth & Design · 2018-01-22

    Somnath Dey, Andreas Schönleber, Swastik Mondal, S. Ali, Sander van Smaalen

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  11. A Review of Mechanoluminescence in Inorganic Solids: Compounds, Mechanisms, Models and Applications

    Materials · 2018-03-23

    Ang Feng, Philippe Frederic Smet

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  12. Exploiting superspace to clarify vacancy and Al/Si ordering in mullite

    IUCrJ · 2018-06-22

    Paul Benjamin Klar, I. Etxebarria, G. Madariaga

    Read original paper ↗ ·

  13. Characterizing modulated structures with first-principles calculations: a unified superspace scheme of ordering in mullite

    Acta Crystallographica Section A Foundations and Advances · 2019-02-12

    Paul Benjamin Klar, I. Etxebarria, G. Madariaga

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  14. The effect of dopant concentrations on the structural, morphological and optical properties of NaNbO3 semiconductor materials

    Materials Science in Semiconductor Processing · 2019-07-04

    Paulina Vlăzan, Florina Ștefania Rus, Maria Poienar, Paula Sfîrloagă

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  15. Host Polytypism and Structural Modulation in Two-Dimensional Fe(NCS)2-Based Metal–Organic Frameworks: Can Spin-Crossover Transitions Be Predicted?

    Crystal Growth & Design · 2019-11-14

    N. De La Pinta, Paul Benjamin Klar, T. Bręczewski, G. Madariaga

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  16. Aperiodic metal–organic frameworks

    Chemical Science · 2020-01-01

    Julius J. Oppenheim, Grigorii Skorupskii, Mircea Dincă

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  17. Single-crystal-to-single-crystal phase transitions of commensurately modulated sodium saccharinate 1.875-hydrate

    IUCrJ · 2021-01-01

    Toms Rekis, Achim Mathias Schaller, Surya Rohith Kotla, Andreas Schönleber, Leila Noohinejad, Martin Tolkiehn, Carsten Paulmann, Sander van Smaalen

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  18. Valence fluctuations in the 3D + 3 modulated Yb 3 Co 4 Ge 13 Remeika phase

    Dalton Transactions · 2021-01-01

    Manuel Feig, Lev Akselrud, Mykhaylo Motylenko, Matej Bobnar, Jörg Wagler, Kristina O. Kvashnina, Volodymyr Levytskyy, David Rafaja, Andreas Leithe‐Jasper, Roman V. Gumeniuk

    Read original paper ↗ ·

  19. Toward Understanding High-Z′ Organic Molecular Crystals through the Superspace Method: The Example of Glycyl- l -valine

    Crystal Growth & Design · 2021-02-24

    Toms Rekis, Andreas Schönleber, Leila Noohinejad, Martin Tolkiehn, Carsten Paulmann, Sander van Smaalen

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  20. Une étude cristallographique: superspace description of a commensurate composite cocrystal of 4,4′-dinitrobiphenyl and biphenyl

    CrystEngComm · 2021-11-26

    Toms Rekis, S. Ramakrishnan, Surya Rohith Kotla, Jin‐Ke Bao, Claudio Eisele, Andreas Schönleber, Leila Noohinejad, Carsten Paulmann, Martin Tolkiehn, Sander van Smaalen

    Read original paper ↗ ·

  21. Incommensurate Phase in Λ‐cobalt (III) Sepulchrate Trinitrate Governed by Highly Competitive N−H⋅⋅⋅O and C−H⋅⋅⋅O Hydrogen Bond Networks**

    Chemistry - A European Journal · 2022-01-24

    Somnath Dey, Andreas Schönleber, Sander van Smaalen, W. Morgenroth, Finn Krebs Larsen

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  22. Hydrogen atoms in supramolecular chemistry: a structural perspective. Where are they, and why does it matter?

    Chemical Society Reviews · 2023-01-01

    Amber L. Thompson, Nicholas G. White

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  23. Superspace approach helps: determination of proton dynamics in the phase transition of modulated supramolecular ferroelectrics: 5,5′-dimethyl-2,2′-bipyridine and bromanilic acid

    CrystEngComm · 2023-01-01

    Leila Noohinejad, Sander van Smaalen, Carsten Paulmann, Martin Tolkiehn

    Read original paper ↗ ·

  24. Asymmetric rotations and dimerization driven by normal to modulated phase transition in 4-biphenylcarboxy coupled L -phenylalaninate

    Acta Crystallographica Section B Structural Science Crystal Engineering and Materials · 2023-03-01

    Somnath Dey, Supriya Sasmal, Saikat Mondal, Santosh Kumar, Rituparno Chowdhury, Debashrita Sarkar, Chilla Malla Reddy, Lars Peters, Georg Roth, Debasish Haldar

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  25. Structural peculiarities? Aperiodic crystals, modulated phases, composite structures

    Physical Sciences Reviews · 2023-05-31

    Andreas Schönleber

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  26. Mechanoluminescence and Its Recent Applications

    Current Materials Science · 2023-12-11

    Dipti Shukla

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  27. Temperature dependent energy transfer to Eu 3+ emission centres in K 5 Eu(MoO 4 ) 4 crystals

    CrystEngComm · 2024-01-01

    Dmitry A. Spassky, А. Н. Васильев, Muhammad Usama Jamal, Vladimir A. Morozov, Bogdan I. Lazoryak, Boris S. Redkin, Kirill A. Chernenko, V. Nagirnyi

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  28. Occupational modulation in the (3+1)-dimensional incommensurate structure of (2S,3S)-2-amino-3-hydroxy-3-methyl-4-phenoxybutanoic acid dihydrate

    Acta Crystallographica Section C Structural Chemistry · 2024-08-08

    Kyana M. Sanders, Samantha K. Bruffy, Andrew R. Buller, Václav Petříček, Ilia A. Guzei

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  29. Tuning structural modulation and magnetic properties in metal–organic coordination polymers [CH 3 NH 3 ]Co x Ni 1− x (HCOO) 3

    IUCrJ · 2024-09-12

    Madeleine Geers, Óscar Fabelo, Matthew J. Cliffe, Laura Cañadillas‐Delgado

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  30. Interplay between Two Structure Types in the Incommensurately Modulated A14+2/3Ta8Se46+2/3 Compounds (A = Rb, Cs)

    Inorganic Chemistry · 2025-01-27

    Thomas S. Ie, Adam Balvanz, Christos D. Malliakas, Jadupati Nag, Saugata Sarker, Avani Marmer, Venkatraman Gopalan, Mercouri G. Kanatzidis

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  31. Influence of Magnetic Anisotropy on the Ground State of [CH3NH3]Fe(HCOO)3: Insights into the Improper Modulated Magnetic Structure

    Inorganic Chemistry · 2025-04-09

    Laura Cañadillas‐Delgado, Lidia Mazzuca, Sanliang Ling, Matthew J. Cliffe, Óscar Fabelo

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  32. A possible explanation for the Rule of Four in Inorganic Materials

    npj Computational Materials · 2026-01-21

    Robert G. Palgrave

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  33. 3D ED/MicroED-Based Structural Analysis of Ipragliflozin– l -Proline Cocrystal from Pharmaceutical Tablet

    Crystal Growth & Design · 2026-07-29

    Takashi Kikuchi, Keiyo Nakai, Kuniyoshi Miki, Chisato Okahashi, Kasumi Kihara, Akito Sasaki, Mitsuhisa Yamano

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